145195-63-7

Name CIS-ENTACAPONE
CAS 145195-63-7
Molecular Formula C14H15N3O5
MDL Number MFCD00869878
Molecular Weight 305.29
MOL File 145195-63-7.mol
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Chemical Properties

Melting point  142-144°C
Boiling point  526.6±50.0 °C(Predicted)
density  1.392±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility  Dichloromethane (Slightly), Methanol (Slightly)
form  neat
pka 5.15±0.50(Predicted)
color  Yellow to Orange
Major Application pharmaceutical
InChI 1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5-
InChIKey JRURYQJSLYLRLN-YHYXMXQVSA-N
SMILES [N+](=O)([O-])c1c(c(cc(c1)\C=C(/C(=O)N(CC)CC)\C#N)O)O

Safety Data

WGK Germany  WGK 3
HS Code  2926900005
Storage Class 11 - Combustible Solids

Hazard Information

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